3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C11H14O3 — CID 85166895

IUPAC3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCOC12OCC3C(C)C(C=CC31)C2=O
InChIInChI=1S/C11H14O3/c1-6-7-3-4-9-8(6)5-14-11(9,13-2)10(7)12/h3-4,6-9H,5H2,1-2H3
InChIKeyZVMBXDLIJRWQSN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.00
Rot. Bonds1

About 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 85166895) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID85166895
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCOC12OCC3C(C)C(C=CC31)C2=O
InChIInChI=1S/C11H14O3/c1-6-7-3-4-9-8(6)5-14-11(9,13-2)10(7)12/h3-4,6-9H,5H2,1-2H3
InChIKeyZVMBXDLIJRWQSN-UHFFFAOYSA-N
XLogP1.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 85166895) is 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is COC12OCC3C(C)C(C=CC31)C2=O.
What is the InChIKey of 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is ZVMBXDLIJRWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-7-3-4-9-8(6)5-14-11(9,13-2)10(7)12/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 85166895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).